SCHEMBL5045779

SCHEMBL5045779

CCCCCCCCCCCCCc1cc(=O)[nH]c(N)n1

nearest known ligand 0.76

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 3/20 0.76
GPR84 Q9NQS5 11/20 0.54
KDM4E B2RXH2 1/20 0.54
ABL1 P00519 1/20 0.54
RIN1 Q13671 1/20 0.54
XDH P47989 2/20 0.51
SCN9A Q15858 2/20 0.48
SCN5A Q14524 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1123617 1.00 BACE1 (0.76) BACE1GPR84KDM4EABL1RIN1
SCHEMBL6474158 1.00 BACE1 (0.76) BACE1GPR84KDM4EABL1RIN1
SCHEMBL9242061 0.98 BACE1 (0.78) BACE1GPR84KDM4EABL1RIN1
SCHEMBL4809195 0.86 BACE1 (1.00) BACE1KDM4EABL1RIN1XDH
SCHEMBL7153368 0.82 GPR84 (0.69) BACE1GPR84
SCHEMBL6927978 0.81 GPR84 (0.51) BACE1GPR84
SCHEMBL6931321 0.81 GPR84 (0.51) BACE1GPR84
SCHEMBL2403638 0.79 BACE1 (0.73) BACE1KDM4EABL1RIN1XDH
SCHEMBL7161078 0.79 GPR84 (0.50) BACE1GPR84
Benzene SCHEMBL8508944 0.76 BACE1 (0.69) BACE1KDM4EABL1RIN1XDH

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1352005-B1 SUPRAMOLECULAR POLYMER FORMING POLYMER HUNTSMAN INT LLC (US) 2008-10-29 EP claimed
EP-1511794-B1 FOAMED SUPRAMOLECULAR POLYMERS HUNTSMAN INT LLC (US) 2007-05-02 EP claimed
EP-1352005-B1 SUPRAMOLECULAR POLYMER FORMING POLYMER HUNTSMAN INT LLC (US) 2008-10-29 EP disclosed
US-7390446-B2 fine cell structure, very good surface appearance, a relatively thin skin; As H-bridge-forming monomeric units, substituted ureido-pyrimidones and ureido-pyrimidines were used HUNTSMAN INTERNATIONAL LLC (US) 2008-06-24 US disclosed
US-20070149751-A1 Bulk manufacturing of supramolecular polymer forming polymer LINDSAY CHRISTOPHER I 2007-06-28 US disclosed
EP-1511794-B1 FOAMED SUPRAMOLECULAR POLYMERS HUNTSMAN INT LLC (US) 2007-05-02 EP disclosed
US-20050151291-A1 Foamed supramolecular polymers HUNTSMAN INTERNATIONAL LLC 2005-07-14 US disclosed
EP-1511794-A2 FOAMED SUPRAMOLECULAR POLYMERS HUNTSMAN INTERNATIONAL LLC (US) 2005-03-09 EP disclosed
US-20040087755-A1 Supramolecular polymer forming polymer DEUTSCHE BANK AG NEW YORK BRANCH, AS AGENT 2004-05-06 US disclosed
WO-2003099875-A2 FOAMED SUPRAMOLECULAR POLYMERS HUNTSMAN INTERNATIONAL LLC (US) 2003-12-04 WO disclosed
EP-1352005-A1 SUPRAMOLECULAR POLYMER FORMING POLYMER HUNTSMAN INTERNATIONAL LLC (US) 2003-10-15 EP disclosed
EP-0929597-B1 SUPRAMOLECULAR POLYMER DSM NV (NL) 2003-01-29 EP disclosed
WO-2002046260-A1 SUPRAMOLECULAR POLYMER FORMING POLYMER HUNTSMAN INTERNATIONAL LLC (US) 2002-06-13 WO disclosed
EP-1213309-A1 Supramolecular polymer forming polymer HUNTSMAN INTERNATIONAL LLC (US) 2002-06-12 EP disclosed
US-6320018-B1 POLYMER COMPRISING MONOMERIC UNITS LINKED VIA 4 H-BRIDGES AND BOUND WITHIN SAID POLYMER VIA A DIFFERENT BOND; HIGH BOND STRENGTH; RIGID; DIMENSIONALLY STABLE; ESPECIALLY CONTAINING PYRIMIDINE RINGS DSM N.V. (NL) 2001-11-20 US disclosed
EP-0929597-A1 SUPRAMOLECULAR POLYMER DSM N.V. (NL) 1999-07-21 EP disclosed
WO-1998014504-A1 SUPRAMOLECULAR POLYMER DSM N.V. (NL) 1998-04-09 WO disclosed